3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide

C14H25N3O2S — CID 120577010

IUPAC3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1CSCC1C(=O)NC1CCCNC1C
InChIInChI=1S/C14H25N3O2S/c1-3-5-13(18)17-9-20-8-12(17)14(19)16-11-6-4-7-15-10(11)2/h10-12,15H,3-9H2,1-2H3,(H,16,19)
InChIKeyBIHIGUHHDFCYNS-UHFFFAOYSA-N
MW299.44 g/mol
LogP0.94
Rot. Bonds4

About 3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide

3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 120577010) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID120577010
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1CSCC1C(=O)NC1CCCNC1C
InChIInChI=1S/C14H25N3O2S/c1-3-5-13(18)17-9-20-8-12(17)14(19)16-11-6-4-7-15-10(11)2/h10-12,15H,3-9H2,1-2H3,(H,16,19)
InChIKeyBIHIGUHHDFCYNS-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120575293
3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120575291
N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120557816
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119458398
4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229835
cis-(1S,3R)-3-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675827
7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid
CID 119227531
1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 120555744
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
CID 114694966
5-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 119255305
1-methyl-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120576315

Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide (CID 120577010) is 3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide is CCCC(=O)N1CSCC1C(=O)NC1CCCNC1C.
What is the InChIKey of 3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BIHIGUHHDFCYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-5-13(18)17-9-20-8-12(17)14(19)16-11-6-4-7-15-10(11)2/h10-12,15H,3-9H2,1-2H3,(H,16,19).
What are the key properties of 3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide?
3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 120577010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).